3-(4-fluoranylphenoxy)propyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: 3-(4-fluorophenoxy)propyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid 3-(4-fluorophenoxy)propyl ester Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCOC3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCOC3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN2O5/c23-18-7-9-19(10-8-18)29-14-5-15-30-22(26)17-6-11-20(21(16-17)25(27)28)24-12-3-1-2-4-13-24/h6-11,16H,1-5,12-15H2